2-(4-bromophenyl)-2-methoxyethanol

C9H11BrO2 — CID 20785407

IUPAC2-(4-bromophenyl)-2-methoxyethanol
SMILESCOC(CO)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO2/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,11H,6H2,1H3
InChIKeyNUSLHCMXGXTSIB-UHFFFAOYSA-N
MW231.09 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-bromophenyl)-2-methoxyethanol

2-(4-bromophenyl)-2-methoxyethanol (PubChem CID 20785407) has the molecular formula C9H11BrO2 and a molecular weight of 231.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-2-methoxyethanol.

Molecular Properties

Compound Name2-(4-bromophenyl)-2-methoxyethanol
PubChem CID20785407
Molecular FormulaC9H11BrO2
Molecular Weight231.09 g/mol
Exact Mass229.99
IUPAC Name2-(4-bromophenyl)-2-methoxyethanol
SMILESCOC(CO)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrO2/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,11H,6H2,1H3
InChIKeyNUSLHCMXGXTSIB-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.09
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenyl)-2-methoxyethanol
CID 59315196
(2R)-2-methoxy-2-phenylethanol
CID 6950345
4-[(1S)-2-hydroxy-1-methoxyethyl]benzene-1,2-diol
CID 86333779
2-(4-bromophenyl)-6-methoxyhexan-1-ol
CID 104650630
N-[2-(4-bromophenyl)-2-methoxyethyl]cyclopropanamine
CID 62106930
1-bromo-4-[(1S)-1-methoxyethyl]benzene
CID 51534481
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
2-methoxy-2-(4-piperazin-1-ylphenyl)ethanol
CID 20785430
4-[2-(4-bromophenyl)-2-methoxyethyl]benzonitrile
CID 146168388
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
2-(4-bromophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543970
3-(4-bromophenyl)-1-(3-chlorophenyl)-3-methoxypropan-1-one
CID 102190330

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-2-methoxyethanol?
The IUPAC name of 2-(4-bromophenyl)-2-methoxyethanol (CID 20785407) is 2-(4-bromophenyl)-2-methoxyethanol.
What is the SMILES notation for 2-(4-bromophenyl)-2-methoxyethanol?
The canonical SMILES for 2-(4-bromophenyl)-2-methoxyethanol is COC(CO)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-2-methoxyethanol?
The InChIKey is NUSLHCMXGXTSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO2/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-(4-bromophenyl)-2-methoxyethanol?
2-(4-bromophenyl)-2-methoxyethanol has a molecular weight of 231.09 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-2-methoxyethanol is sourced from PubChem (CID 20785407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).